2-[3-(3-ethoxy-4-oxidanyl-phenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[3-(3-ethoxy-4-oxidanyl-phenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[3-(3-ethoxy-4-hydroxy-phenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[5-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-2-pyrazolin-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C31H27N3O3S MolecularWeight: 521.62938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)O

InChI

InChI=1S/C31H27N3O3S/c1-2-37-28-18-22(16-17-27(28)35)26-19-23(21-10-4-3-5-11-21)32-33(26)20-31(36)34-24-12-6-8-14-29(24)38-30-15-9-7-13-25(30)34/h3-18,26,35H,2,19-20H2,1H3